1,4-dithian-2-ylmethanol

C5H10OS2 — CID 14743130

IUPAC1,4-dithian-2-ylmethanol
SMILESOCC1CSCCS1
InChIInChI=1S/C5H10OS2/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2
InChIKeyJHJGOPGLZVEPDO-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.83
Rot. Bonds1

About 1,4-dithian-2-ylmethanol

1,4-dithian-2-ylmethanol (PubChem CID 14743130) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1,4-dithian-2-ylmethanol.

Molecular Properties

Compound Name1,4-dithian-2-ylmethanol
PubChem CID14743130
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name1,4-dithian-2-ylmethanol
SMILESOCC1CSCCS1
InChIInChI=1S/C5H10OS2/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2
InChIKeyJHJGOPGLZVEPDO-UHFFFAOYSA-N
XLogP0.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-ylmethanol?
The IUPAC name of 1,4-dithian-2-ylmethanol (CID 14743130) is 1,4-dithian-2-ylmethanol.
What is the SMILES notation for 1,4-dithian-2-ylmethanol?
The canonical SMILES for 1,4-dithian-2-ylmethanol is OCC1CSCCS1.
What is the InChIKey of 1,4-dithian-2-ylmethanol?
The InChIKey is JHJGOPGLZVEPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2.
What are the key properties of 1,4-dithian-2-ylmethanol?
1,4-dithian-2-ylmethanol has a molecular weight of 150.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-ylmethanol is sourced from PubChem (CID 14743130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).